6-Phenylimidazo(2,1-b)(1,3,4)thiadiazole
Basic information
- CAS
25752-18-5- Standard SMILES
c1ccc(-c2cn3ncsc3n2)cc1- InChIKey
GFPSTSCYNCOYTN-UHFFFAOYSA-N- Molecular formula
- C10H7N3S
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.03606841
Names & identifiers
- Preferred name
- 6-Phenylimidazo(2,1-b)(1,3,4)thiadiazole
- IUPAC
- 6-phenylimidazo[2,1-b][1,3,4]thiadiazole
- English name
- 6-phenylimidazo[2,1-b][1,3,4]thiadiazole
- Molecular formula
- C10H7N3S
- Molecular weight
- 201.25
Names & synonyms
6-phenylimidazo[2,1-b][1,3,4]thiadiazole25752-18-56-Phenylimidazo(2,1-b)(1,3,4)thiadiazoleRefChem:544283980-935-7SCHEMBL11146043GFPSTSCYNCOYTN-UHFFFAOYSA-NHMS1634K18ABA75218AKOS002355630CCG-150209CS-0245032
Show more names
Imidazo[2,1-b]-1,3,4-thiadiazole, 6-phenyl-
6-Phenylimidazo[2,1-b]-1,3,4-ThiadiazoleEN300-298400G53134AE-848/32010026Z56790715
Database identifiers
- CAS
25752-18-5- PubChem CID
- 853547
- EC Number
- 980-935-7
- Nikkaji
- J3.261.927D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 127 · 127-130 °C
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 1.63 · 1.63±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
3 records
Compound notes
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